ChemSpider 2D Image | Methyl 1-{4-[(17-acetoxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}-4-hydroxyprolinate | C33H45NO10

Methyl 1-{4-[(17-acetoxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}-4-hydroxyprolinate

  • Molecular FormulaC33H45NO10
  • Average mass615.711 Da
  • Monoisotopic mass615.304321 Da
  • ChemSpider ID17468227

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-{4-[(17-Acétoxy-3,20-dioxoprégn-4-én-21-yl)oxy]-4-oxobutanoyl}-4-hydroxyprolinate de méthyle [French] [ACD/IUPAC Name]
Methyl 1-{4-[(17-acetoxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}-4-hydroxyprolinate [ACD/IUPAC Name]
Methyl-1-{4-[(17-acetoxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}-4-hydroxyprolinat [German] [ACD/IUPAC Name]
Proline, 1-[4-[[17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy]-1,4-dioxobutyl]-4-hydroxy-, methyl ester [ACD/Index Name]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 758.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.8 mmHg at 25°C
    Enthalpy of Vaporization: 126.0±6.0 kJ/mol
    Flash Point: 412.4±32.9 °C
    Index of Refraction: 1.572
    Molar Refractivity: 155.6±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 3.10
    ACD/LogD (pH 5.5): 2.99
    ACD/BCF (pH 5.5): 111.11
    ACD/KOC (pH 5.5): 1013.82
    ACD/LogD (pH 7.4): 2.99
    ACD/BCF (pH 7.4): 111.11
    ACD/KOC (pH 7.4): 1013.82
    Polar Surface Area: 154 Å2
    Polarizability: 61.7±0.5 10-24cm3
    Surface Tension: 57.5±5.0 dyne/cm
    Molar Volume: 473.1±5.0 cm3

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